I employed opt+freq calculation for a molecule using B3LYP/6-31G set and found Ehomo=-0.20111 and Elumo=+0.00211. Is positive value of LUMO possible?

From HOMO-LUMO values, I found energy gap (Elumo - Ehomo) to be 0.20322, which seems to be fine and also homo is more stable than lumo. But I am confused if the value obtained for E(lumo) is...

01 February 2019 3,929 3 View

What is the significance of pH in the preparation of graphite oxide from graphite flakes?

After terminating the preparation process of graphite oxide from graphite by adding hydrogen peroxide, one has to wash the obtained product with HCl and distilled water using centrifugation, and...

11 December 2017 7,202 0 View

Do one knows the hydration energy of zirconium hydroxide and ionic radius of Zr4+ cation?

04 May 2017 5,728 5 View

In corrosion studies, why the value of capacitance double layer or constant phase element should be in the range of 1E-6 to 1E-4 Fcm-2?

In fitting EIS data (in corrosion of metal alloy studies) by means of electrical equivalent circuit (EEC), could the double layer capacitance (Cdl) value or constant phase element (Q) value...

02 March 2017 1,895 3 View

What is the correct procedure of performing cyclic voltammetry?

In case of corrosion study, is the procedure correct if one sweeps the potential initially from say "x V" towards negative going potential and then reverse back through positive going potential to...

31 December 2016 8,972 1 View

How to calculate charge transfer resistance from EIS curve?

Charge transfer resistance is the resistance against the process of electron transfer from one phase (e.g. electrode) to another (e.g. liquid). Suppose I have an EIS curve with two time constants....

10 November 2016 2,922 11 View

Does anyone know HRM channel in a 2 plex QIAGEN Rotor- Gene Q qPCR can be used as a separate channel?

I am going to have 3 different probes in my qPCR work that I am going to do. But I realized that the machine we have in the lab is a Rotor-Gene Q 2plex HRM Platform, saying it has green, yellow,...

01 March 2021 8,544 1 View

What are the countries most affected by extreme rainfall as a result of climate change?

Increased heat, drought and insect outbreaks, all associated to climate change, have increased wildfires. Decreasing water supplies, declined agricultural yields, health impacts in cities owing to...

01 March 2021 7,168 9 View

What are the new 2D nanomaterials were used for Silver nanoparticles stabilization?

In the stabilization of AgNPs are vital in current research interest. However, some of the 2D nano-materials like graphene oxide, MoS2, etc... previously used to stabilize it. But still they shown...

01 March 2021 2,207 3 View

What is recommended for solid domain in ANSYS FLUENT?

Should I mesh the solid domain ? or should I use wall thickness? or Shell conduction? for Heat Transfer between two fluids of a Heat Exchanger. what is recommended?

01 March 2021 9,785 3 View

Heat exchanger with liquid Nitrogen as coolant?

I want to cool Natural Gas from 195 Kelvin to 138 Klevin in a heat exchanger by using liquid nitrogen as the coolant medium. When entering the heat exchanger, the liquid nitrogen will have a...

01 March 2021 6,450 5 View

How can i resolve the "final solutuin is not converged" error in Comsol for my heat transfer simulation??

I have been trying to simulate heat transfer problem in Comsol 5.5 for long time but it always throw an error stating: "Failed to find a solution. Maximum number of Newton iterations...

28 February 2021 8,626 3 View

1 nm thick MgO thin-film to be deposited on Si wafer using thermal evaporation. What will be the optimum deposition conditions?

Favourable conditions of base pressure, rate of deposition. Also, by which characterisation technique to be used to verify the thickness of the deposited film.

28 February 2021 3,640 3 View

Exit velocity of natural gas from pressurized tank?

Hi Guys. I'm a mechanical engineer and have a bit trouble, would be very glad if you could help me with my questions. I have a pressurized tank which contains Natural Gas at 200 Bar and 293...

26 February 2021 6,253 3 View

How does charge on working electrode changes with rising potential?

During performing CV of a GCE or modified GCE, we rise the potential in the first half of the cycle and reduce it in reverse half. During the first half, what is the nature of charge on GCE or...

25 February 2021 7,994 3 View

Anyone that can help with Maxquant TMT16plex which is missing?

Hi I am very new to proteomics analysis. I have got raw files from core facility running thermofisher TMT 16plex 4 hours. I cannot find on maxquant the option TMT16Plex there is only up to 11...

25 February 2021 1,675 3 View